[(2S)-1-[(2-methoxycarbonylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2-methoxycarbonylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(2-methoxycarbonylphenyl)carbamoyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(2-methoxycarbonylanilino)-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(2-methoxycarbonylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(2-carbomethoxyphenyl)carbamoyl]-3-(methylthio)propyl]ammonium Formula: C13H19N2O3S+ MolecularWeight: 283.36656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(CCSC)[NH3+]

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C13H18N2O3S/c1-18-13(17)9-5-3-4-6-11(9)15-12(16)10(14)7-8-19-2/h3-6,10H,7-8,14H2,1-2H3,(H,15,16)/p+1/t10-/m0/s1